(E)-3-morpholin-4-ylbut-2-enenitrile

C8H12N2O — CID 2322435

IUPAC(E)-3-morpholin-4-ylbut-2-enenitrile
SMILESC/C(=C\C#N)N1CCOCC1
InChIInChI=1S/C8H12N2O/c1-8(2-3-9)10-4-6-11-7-5-10/h2H,4-7H2,1H3/b8-2+
InChIKeyGEDIMULGZONCMD-KRXBUXKQSA-N
MW152.20 g/mol
LogP0.75
Rot. Bonds1

About (E)-3-morpholin-4-ylbut-2-enenitrile

(E)-3-morpholin-4-ylbut-2-enenitrile (PubChem CID 2322435) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (E)-3-morpholin-4-ylbut-2-enenitrile.

Molecular Properties

Compound Name(E)-3-morpholin-4-ylbut-2-enenitrile
PubChem CID2322435
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(E)-3-morpholin-4-ylbut-2-enenitrile
SMILESC/C(=C\C#N)N1CCOCC1
InChIInChI=1S/C8H12N2O/c1-8(2-3-9)10-4-6-11-7-5-10/h2H,4-7H2,1H3/b8-2+
InChIKeyGEDIMULGZONCMD-KRXBUXKQSA-N
XLogP0.75
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-Morpholin-4-yl-acrylnitrile
CID 556674
4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
4-(But-2-en-2-yl)morpholine
CID 53949343
2-Morpholin-4-ylpent-2-enenitrile
CID 140785257
3-Morpholin-4-ylhex-2-enenitrile
CID 90834629
2-(Morpholin-4-yl)penta-2,4-dienonitrile
CID 129771462
(E)-3-morpholin-4-ylhex-2-en-4-ynenitrile
CID 168330122
(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile
CID 14086801
(Z)-3-morpholin-4-ylbut-2-enenitrile
CID 2322436
3-Morpholin-4-ylbut-2-enenitrile
CID 4049791
4-[(Z)-but-2-en-2-yl]morpholine
CID 12467374
2-[1-(4-Morpholinyl)ethylidene]malononitrile
CID 14025521

Frequently Asked Questions

What is the IUPAC name of (E)-3-morpholin-4-ylbut-2-enenitrile?
The IUPAC name of (E)-3-morpholin-4-ylbut-2-enenitrile (CID 2322435) is (E)-3-morpholin-4-ylbut-2-enenitrile.
What is the SMILES notation for (E)-3-morpholin-4-ylbut-2-enenitrile?
The canonical SMILES for (E)-3-morpholin-4-ylbut-2-enenitrile is C/C(=C\C#N)N1CCOCC1.
What is the InChIKey of (E)-3-morpholin-4-ylbut-2-enenitrile?
The InChIKey is GEDIMULGZONCMD-KRXBUXKQSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2-3-9)10-4-6-11-7-5-10/h2H,4-7H2,1H3/b8-2+.
What are the key properties of (E)-3-morpholin-4-ylbut-2-enenitrile?
(E)-3-morpholin-4-ylbut-2-enenitrile has a molecular weight of 152.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-morpholin-4-ylbut-2-enenitrile is sourced from PubChem (CID 2322435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).